SpectraBase Compound ID | Ki1M2caOQ6C |
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InChI | InChI=1S/C26H22ClN5O8S2.2Na/c1-13-9-22(14(2)8-21(13)30-29-20-7-4-17(27)12-23(20)41(35,36)37)31-32-25-24(42(38,39)40)11-16-10-18(28-15(3)33)5-6-19(16)26(25)34;;/h4-12,34H,1-3H3,(H,28,33)(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2/b30-29-,32-31+;; |
InChIKey | HUWGGRICTGXHMF-JOYDGREESA-L |
Mol Weight | 676.02553856 g/mol |
Molecular Formula | C26H20ClN5Na2O8S2 |
Exact Mass | 675.023721 g/mol |
SpectraBase Spectrum ID | LRioziCSeu9 |
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Name | 2-Naphthalenesulfonic acid, 7-(acetylamino)-3-[[4-[(4-chloro-2-sulfophenyl)azo]-2,5-dimethylphenyl]azo]-4-hydroxy-, disodium salt |
CAS Registry Number | 5873-19-8 |
Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C26H20ClN5Na2O8S2 |
InChI | InChI=1S/C26H22ClN5O8S2.2Na/c1-13-9-22(14(2)8-21(13)30-29-20-7-4-17(27)12-23(20)41(35,36)37)31-32-25-24(42(38,39)40)11-16-10-18(28-15(3)33)5-6-19(16)26(25)34;;/h4-12,34H,1-3H3,(H,28,33)(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2/b30-29-,32-31+;; |
InChIKey | HUWGGRICTGXHMF-JOYDGREESA-L |
Instrument Name | Bruker IFS 85 |
Technique | KBr-Pellet |